4-methoxy-N-(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)benzenesulfonamide

C20H18N4O3S — CID 108780976

IUPAC4-methoxy-N-(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2cnc3c(c2)c(C)nn3-c2ccccc2)cc1
InChIInChI=1S/C20H18N4O3S/c1-14-19-12-15(23-28(25,26)18-10-8-17(27-2)9-11-18)13-21-20(19)24(22-14)16-6-4-3-5-7-16/h3-13,23H,1-2H3
InChIKeyARSKEWDCLIYZSZ-UHFFFAOYSA-N
MW394.46 g/mol
LogP3.54
Rot. Bonds5

About 4-methoxy-N-(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)benzenesulfonamide

4-methoxy-N-(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)benzenesulfonamide (PubChem CID 108780976) has the molecular formula C20H18N4O3S and a molecular weight of 394.46 g/mol. Its IUPAC name is 4-methoxy-N-(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-N-(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)benzenesulfonamide
PubChem CID108780976
Molecular FormulaC20H18N4O3S
Molecular Weight394.46 g/mol
Exact Mass394.11
IUPAC Name4-methoxy-N-(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2cnc3c(c2)c(C)nn3-c2ccccc2)cc1
InChIInChI=1S/C20H18N4O3S/c1-14-19-12-15(23-28(25,26)18-10-8-17(27-2)9-11-18)13-21-20(19)24(22-14)16-6-4-3-5-7-16/h3-13,23H,1-2H3
InChIKeyARSKEWDCLIYZSZ-UHFFFAOYSA-N
XLogP3.54
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.46
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-4-methoxybenzenesulfonamide
CID 51284216
4-(4-methoxyphenoxy)-N-(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)butanamide
CID 108753832
N-(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)butane-1-sulfonamide
CID 108780973
(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)urea
CID 139016323
4-methoxy-N-phenylbenzenesulfonamide
CID 835273
4-tert-butyl-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)benzenesulfonamide
CID 24662850
(E)-N-(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 108753787
N-(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)-4-naphthalen-2-yloxybutanamide
CID 108753826
N-(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)prop-2-enamide
CID 139018825
4-fluoro-N-(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)benzamide
CID 108753718
4-(4-tert-butylphenoxy)-N-(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)butanamide
CID 108753823
5-methyl-N-(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)-1-phenylpyrazole-4-carboxamide
CID 108730123

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)benzenesulfonamide?
The IUPAC name of 4-methoxy-N-(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)benzenesulfonamide (CID 108780976) is 4-methoxy-N-(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)benzenesulfonamide.
What is the SMILES notation for 4-methoxy-N-(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)benzenesulfonamide?
The canonical SMILES for 4-methoxy-N-(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)benzenesulfonamide is COc1ccc(S(=O)(=O)Nc2cnc3c(c2)c(C)nn3-c2ccccc2)cc1.
What is the InChIKey of 4-methoxy-N-(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)benzenesulfonamide?
The InChIKey is ARSKEWDCLIYZSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O3S/c1-14-19-12-15(23-28(25,26)18-10-8-17(27-2)9-11-18)13-21-20(19)24(22-14)16-6-4-3-5-7-16/h3-13,23H,1-2H3.
What are the key properties of 4-methoxy-N-(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)benzenesulfonamide?
4-methoxy-N-(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)benzenesulfonamide has a molecular weight of 394.46 g/mol, XLogP of 3.54, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)benzenesulfonamide is sourced from PubChem (CID 108780976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).